3-ethyl-N-methylcyclohexa-2,4-dien-1-amine

C9H15N — CID 123351089

IUPAC3-ethyl-N-methylcyclohexa-2,4-dien-1-amine
SMILESCCC1=CC(NC)CC=C1
InChIInChI=1S/C9H15N/c1-3-8-5-4-6-9(7-8)10-2/h4-5,7,9-10H,3,6H2,1-2H3
InChIKeyPFYXBBOTMDCCPW-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.87
Rot. Bonds2

About 3-ethyl-N-methylcyclohexa-2,4-dien-1-amine

3-ethyl-N-methylcyclohexa-2,4-dien-1-amine (PubChem CID 123351089) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 3-ethyl-N-methylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name3-ethyl-N-methylcyclohexa-2,4-dien-1-amine
PubChem CID123351089
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name3-ethyl-N-methylcyclohexa-2,4-dien-1-amine
SMILESCCC1=CC(NC)CC=C1
InChIInChI=1S/C9H15N/c1-3-8-5-4-6-9(7-8)10-2/h4-5,7,9-10H,3,6H2,1-2H3
InChIKeyPFYXBBOTMDCCPW-UHFFFAOYSA-N
XLogP1.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 3-ethyl-N-methylcyclohexa-2,4-dien-1-amine (CID 123351089) is 3-ethyl-N-methylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 3-ethyl-N-methylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 3-ethyl-N-methylcyclohexa-2,4-dien-1-amine is CCC1=CC(NC)CC=C1.
What is the InChIKey of 3-ethyl-N-methylcyclohexa-2,4-dien-1-amine?
The InChIKey is PFYXBBOTMDCCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-3-8-5-4-6-9(7-8)10-2/h4-5,7,9-10H,3,6H2,1-2H3.
What are the key properties of 3-ethyl-N-methylcyclohexa-2,4-dien-1-amine?
3-ethyl-N-methylcyclohexa-2,4-dien-1-amine has a molecular weight of 137.23 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 123351089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).